⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10933989 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11591458 | 0.76 | CYP1A2 (0.95) | — | |
| SCHEMBL15359895 | 0.73 | — | — | |
| SCHEMBL15357604 | 0.70 | CYP1A2 (0.35) | — | |
| SCHEMBL17127597 | 0.68 | — | — | |
| SCHEMBL5924365 | 0.67 | — | — | |
| SCHEMBL15867581 | 0.62 | CYP1A2 (0.41) | — | |
| SCHEMBL532869 | 0.62 | — | — | |
| SCHEMBL23331067 | 0.60 | TOP2A (0.35) | — | |
| SCHEMBL5929159 | 0.59 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110143963-A | With active pyridazine compound of sterilizing and its preparation method and application | 河南科技大学第一附属医院 | 2019-08-20 | — | — | CN | claimed |
| CN-110143963-B | Pyridazine compound with sterilization and disinfection activity and preparation method and application thereof | 河南科技大学第一附属医院 | 2020-04-28 | — | — | CN | disclosed |
| CN-110143963-B | Pyridazine compound with sterilization and disinfection activity and preparation method and application thereof | 河南科技大学第一附属医院 | 2020-04-28 | — | — | CN | disclosed |
| CN-110143963-A | With active pyridazine compound of sterilizing and its preparation method and application | 河南科技大学第一附属医院 | 2019-08-20 | — | — | CN | disclosed |